Home Nitriles 8-oxabicyclo[3.2.1]octane-3-carbonitrile

8-oxabicyclo[3.2.1]octane-3-carbonitrile

CAS No.:
855386-64-0
Catalog Number:
AG00IDP4
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
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Product Description
Catalog Number:
AG00IDP4
Chemical Name:
8-oxabicyclo[3.2.1]octane-3-carbonitrile
CAS Number:
855386-64-0
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD26959172
IUPAC Name:
8-oxabicyclo[3.2.1]octane-3-carbonitrile
InChI:
InChI=1S/C8H11NO/c9-5-6-3-7-1-2-8(4-6)10-7/h6-8H,1-4H2
InChI Key:
XBUUNYOCQXPUMU-UHFFFAOYSA-N
SMILES:
N#CC1CC2CCC(C1)O2
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties